5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide

C25H29FN2O3 — CID 4641172

IUPAC5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN(Cc2ccc(OCC)cc2)Cc2cccc(F)c2)o1
InChIInChI=1S/C25H29FN2O3/c1-3-14-27-25(29)24-13-12-23(31-24)18-28(17-20-6-5-7-21(26)15-20)16-19-8-10-22(11-9-19)30-4-2/h5-13,15H,3-4,14,16-18H2,1-2H3,(H,27,29)
InChIKeyMMPFMTMZRJYPGK-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.16
Rot. Bonds11

About 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide

5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide (PubChem CID 4641172) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
PubChem CID4641172
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN(Cc2ccc(OCC)cc2)Cc2cccc(F)c2)o1
InChIInChI=1S/C25H29FN2O3/c1-3-14-27-25(29)24-13-12-23(31-24)18-28(17-20-6-5-7-21(26)15-20)16-19-8-10-22(11-9-19)30-4-2/h5-13,15H,3-4,14,16-18H2,1-2H3,(H,27,29)
InChIKeyMMPFMTMZRJYPGK-UHFFFAOYSA-N
XLogP5.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 42753705
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42753699
5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42753728
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 3916484
N-[2-[[N-[(4-ethoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111274632
5-[[(3,4-dimethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 42751023
[5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 1200054
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide
CID 5038948
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide (CID 4641172) is 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(CN(Cc2ccc(OCC)cc2)Cc2cccc(F)c2)o1.
What is the InChIKey of 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
The InChIKey is MMPFMTMZRJYPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-3-14-27-25(29)24-13-12-23(31-24)18-28(17-20-6-5-7-21(26)15-20)16-19-8-10-22(11-9-19)30-4-2/h5-13,15H,3-4,14,16-18H2,1-2H3,(H,27,29).
What are the key properties of 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide?
5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 4641172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).